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Substance Name: Gypsogenin methyl ester
RN: 55627-01-5
UNII: A0443J3Q0X
InChIKey: SFRFLQWDAKDVPU-HDUSDABTSA-N

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.7162
 
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Names and Synonyms

Name of Substance

  • Gypsogenin methyl ester

Synonyms

  • (3beta,4alpha)-3-Hydroxy-23-oxoolean-12-en-28-oic acid, methyl ester
  • Githagenin methyl ester
  • Gypsogenin methyl ester
  • Gypsogenin methyl ester [MI]
  • Olean-12-en-28-oic acid, 3-hydroxy-23-oxo-, methyl ester, (3beta,4alpha)-
  • UNII-A0443J3Q0X

Registry Numbers

CAS Registry Number

  • 55627-01-5

FDA UNII

  • A0443J3Q0X

System Generated Number

  • 0055627015

Structure Descriptors

InChI

1S/C31H48O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,19,21-24,33H,9-18H2,1-7H3/t21-,22+,23+,24-,27-,28-,29+,30+,31-/m0/s1

InChIKey

SFRFLQWDAKDVPU-HDUSDABTSA-N

Smiles

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C=O)O